Authorship, Copying, Building,
Using...

This code was assembled by Mark Gerstein. Much of it was written by Mark Gerstein
but there are substantial contributions from Julian Graham, Jerry Tsai, Yehouda Harpaz, David
Hinds, Neil Voss, and others. The code is currently maintained by Neil Voss (vossman77 [at] yahoo.com)
This code is copyright 1995, 1999, 2005.

You are free to use it for whatever academic calculations you may wish to.
However, you are asked to:

Cite the references above when you use the programs for published work;

Keep this statement with the programs;

Not incorporate this code into any commercial programs without obtaining
explicit permission from the author.

Contact Mark Gerstein if you have any questions or difficulties.

Most everything here is written in the C language and compiles using make under
Unix. It has so far been tested on DEC alphas, SG Indigos, PowerPCs and i486s thorugh
Core 2 Duos and Opterons running many different distros of Linux. To get everything going, just type 'configure' then 'make' in the top level
directory and all the libraries and executables should be built and tested.

Organization

data
. This subdirectory contains various data files pertinent to the calculations
-- e.g. standard radii and volumes for atoms.

src-prog / README
. These were the original programs distributed with version 1.0 of the code
-- calculation of Voronoi volumes, accessible surfaces, and the Delauney triangulation.

Location of the code

This URL is a tar achive that contains the source code plus sample output and
scripts for checking out the programs. To extract files from the archive use
the command 'tar zxvf libproteingeom-2.*.tgz' .

History

25 October 1995 -- Version 1.0, released code

3 May 1996 -- Version 1.1, Corrected bug that prevented the calculation of
hydrogen volumes, Corrected bug (I think) that lead to the first atom type
being given a zero radius. To make doubly sure this doesn't happen, just make
this first atom type a dummy type ("JUNK").